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Re^5: mcscf energy with different numbers of roots

Alex Granovsky
gran@classic.chem.msu.su

Dear Mark,

You are welcome. Please do not hesitate to post on the forum any further questions
or doubts concerning xmcqdpt2 calculations or location of conical
intersections. Both are important features of Firefly,
and tuning inputs for large-scale calculations (I guess you may be
interested in performing them, are you?) can be a bit tricky.

Kind regards,
Alex Granovsky

On Wed Jul 13 '11 5:36am, mark huntress wrote
---------------------------------------------
>Dr Granovsky,

>  Thank you so much for doing all that. I feel 100% better about my input now. and the data is coming out about like we expected it would. It was very helpful, Thanks.
>Mark

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